methyl 2-[3-(ethoxymethyl)-5-nitro-2,6-bis(oxidanylidene)pyrimidin-4-yl]sulfanylethanoate

Systemtic Name: methyl 2-[3-(ethoxymethyl)-5-nitro-2,6-bis(oxidanylidene)pyrimidin-4-yl]sulfanylethanoate Openeye Name: methyl 2-[3-(ethoxymethyl)-5-nitro-2,6-dioxo-pyrimidin-4-yl]sulfanylacetate CAS Name: 2-[[3-(ethoxymethyl)-5-nitro-2,6-dioxo-4-pyrimidinyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[3-(ethoxymethyl)-5-nitro-2,6-dioxopyrimidin-4-yl]sulfanylacetate Traditional Name: 2-[[3-(ethoxymethyl)-2,6-diketo-5-nitro-pyrimidin-4-yl]thio]acetic acid methyl ester Formula: C10H13N3O7S MolecularWeight: 319.29112

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Descriptors Computed from Structure

Canonical SMILES:

CCOCN1C(=C(C(=O)NC1=O)[N+](=O)[O-])SCC(=O)OC

Isomeric SMILES

CCOCN1C(=C(C(=O)NC1=O)[N+](=O)[O-])SCC(=O)OC

InChI

InChI=1S/C10H13N3O7S/c1-3-20-5-12-9(21-4-6(14)19-2)7(13(17)18)8(15)11-10(12)16/h3-5H2,1-2H3,(H,11,15,16)